3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one

C15H17FN4O — CID 102567348

IUPAC3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one
SMILESNC1CCN(c2nccn(Cc3cccc(F)c3)c2=O)C1
InChIInChI=1S/C15H17FN4O/c16-12-3-1-2-11(8-12)9-20-7-5-18-14(15(20)21)19-6-4-13(17)10-19/h1-3,5,7-8,13H,4,6,9-10,17H2
InChIKeyXURDNQMGJJEKBM-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.97
Rot. Bonds3

About 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one

3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one (PubChem CID 102567348) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one
PubChem CID102567348
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one
SMILESNC1CCN(c2nccn(Cc3cccc(F)c3)c2=O)C1
InChIInChI=1S/C15H17FN4O/c16-12-3-1-2-11(8-12)9-20-7-5-18-14(15(20)21)19-6-4-13(17)10-19/h1-3,5,7-8,13H,4,6,9-10,17H2
InChIKeyXURDNQMGJJEKBM-UHFFFAOYSA-N
XLogP0.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
CID 102986648
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one
CID 126791326
3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
CID 112707759
1-(3-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-amine
CID 102549408

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one (CID 102567348) is 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one is NC1CCN(c2nccn(Cc3cccc(F)c3)c2=O)C1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one?
The InChIKey is XURDNQMGJJEKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-12-3-1-2-11(8-12)9-20-7-5-18-14(15(20)21)19-6-4-13(17)10-19/h1-3,5,7-8,13H,4,6,9-10,17H2.
What are the key properties of 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one?
3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one has a molecular weight of 288.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 102567348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).